2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole

C35H34N2O4 — CID 123212498

IUPAC2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole
SMILESc1ccc2c(c1)[nH]c1cc(OCc3ccc4c5ccc(OC6CCCCO6)cc5n(C5CCCCO5)c4c3)ccc12
InChIInChI=1S/C35H34N2O4/c1-2-8-30-26(7-1)27-15-12-24(20-31(27)36-30)40-22-23-11-14-28-29-16-13-25(41-35-10-4-6-18-39-35)21-33(29)37(32(28)19-23)34-9-3-5-17-38-34/h1-2,7-8,11-16,19-21,34-36H,3-6,9-10,17-18,22H2
InChIKeyUBHSIHZRIKMAPK-UHFFFAOYSA-N
MW546.67 g/mol
LogP8.61
Rot. Bonds6

About 2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole

2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole (PubChem CID 123212498) has the molecular formula C35H34N2O4 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole.

Molecular Properties

Compound Name2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole
PubChem CID123212498
Molecular FormulaC35H34N2O4
Molecular Weight546.67 g/mol
Exact Mass546.25
IUPAC Name2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole
SMILESc1ccc2c(c1)[nH]c1cc(OCc3ccc4c5ccc(OC6CCCCO6)cc5n(C5CCCCO5)c4c3)ccc12
InChIInChI=1S/C35H34N2O4/c1-2-8-30-26(7-1)27-15-12-24(20-31(27)36-30)40-22-23-11-14-28-29-16-13-25(41-35-10-4-6-18-39-35)21-33(29)37(32(28)19-23)34-9-3-5-17-38-34/h1-2,7-8,11-16,19-21,34-36H,3-6,9-10,17-18,22H2
InChIKeyUBHSIHZRIKMAPK-UHFFFAOYSA-N
XLogP8.61
TPSA57.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole?
The IUPAC name of 2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole (CID 123212498) is 2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole.
What is the SMILES notation for 2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole?
The canonical SMILES for 2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole is c1ccc2c(c1)[nH]c1cc(OCc3ccc4c5ccc(OC6CCCCO6)cc5n(C5CCCCO5)c4c3)ccc12.
What is the InChIKey of 2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole?
The InChIKey is UBHSIHZRIKMAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O4/c1-2-8-30-26(7-1)27-15-12-24(20-31(27)36-30)40-22-23-11-14-28-29-16-13-25(41-35-10-4-6-18-39-35)21-33(29)37(32(28)19-23)34-9-3-5-17-38-34/h1-2,7-8,11-16,19-21,34-36H,3-6,9-10,17-18,22H2.
What are the key properties of 2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole?
2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole has a molecular weight of 546.67 g/mol, XLogP of 8.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-2-yloxymethyl)-9-(oxan-2-yl)-7-(oxan-2-yloxy)carbazole is sourced from PubChem (CID 123212498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).